HMDB0001490 RDKit 3D Vanylglycol 25 25 0 0 0 0 0 0 0 0999 V2000 3.0348 0.2967 0.8281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 -0.8974 0.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 -1.0128 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 0.0751 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9969 -0.0067 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 1.1591 -0.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 0.9103 0.4868 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 2.3591 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 2.7029 -0.6572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 -1.2223 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 -2.2948 -1.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7445 -2.2060 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -3.2964 -0.7454 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0061 0.1200 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 1.0359 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 0.7077 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7619 0.9689 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 1.3683 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4064 0.0432 0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7611 2.1739 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 3.2567 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 2.4618 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 -1.2936 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 -3.2619 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2690 -4.1476 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 M END